4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole

C195H193N19O4 — CID 163538313

About 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole

4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole (PubChem CID 163538313) has the molecular formula C195H193N19O4 and a molecular weight of 2866.82 g/mol. Its IUPAC name is 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole
• PubChem CID: 163538313
• Molecular Formula: C195H193N19O4
• Molecular Weight: 2866.82 g/mol
• Exact Mass: 2864.55
• IUPAC Name: 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole
• SMILES: C=C=C=C=C/C=C/c1ccncc1C.C=Cc1cncc2c1c1ccccc1n2C.CCCCCc1cncc(C)c1-c1ccccc1.Cc1cnc(C(=O)CC(C)C)c2c1c1ccccc1n2C.Cc1cncc2c1CCCC2.Cc1cncc2c3ccccc3c3ccccc3c12.Cc1cnccc1-c1ccc([N+](=O)[O-])cc1.Cc1cnccc1C1=Cc2ccccc2C1C.Cc1ncc2c(c1C)c1ccccc1n2C.Cc1ncc2c(c1Cc1ccccc1)c1ccccc1n2C.Cn1c(C(O)Cc2cncc3c2c2ccccc2n3C)cc2ccccc21.[H][H].[H][H].[H][H].[H][H].[H][H].c1ccc(Cc2cncc3c2ccc2ccccc23)cc1
• InChI: InChI=1S/C23H21N3O.C20H18N2.C20H15N.C18H20N2O.C18H13N.C17H21N.C16H15N.C14H14N2.C14H12N2.C13H11N.C12H10N2O2.C10H13N.5H2/c1-25-18-9-5-3-7-15(18)11-20(25)22(27)12-16-13-24-14-21-23(16)17-8-4-6-10-19(17)26(21)2;1-14-17(12-15-8-4-3-5-9-15)20-16-10-6-7-11-18(16)22(2)19(20)13-21-14;1-2-6-15(7-3-1)12-17-13-21-14-20-18-9-5-4-8-16(18)10-11-19(17)20;1-11(2)9-15(21)17-18-16(12(3)10-19-17)13-7-5-6-8-14(13)20(18)4;1-12-10-19-11-17-15-8-3-2-6-13(15)14-7-4-5-9-16(14)18(12)17;1-3-4-6-11-16-13-18-12-14(2)17(16)15-9-7-5-8-10-15;1-11-10-17-8-7-14(11)16-9-13-5-3-4-6-15(13)12(16)2;1-9-10(2)15-8-13-14(9)11-6-4-5-7-12(11)16(13)3;1-3-10-8-15-9-13-14(10)11-6-4-5-7-12(11)16(13)2;1-3-4-5-6-7-8-13-9-10-14-11-12(13)2;1-9-8-13-7-6-12(9)10-2-4-11(5-3-10)14(15)16;1-8-6-11-7-9-4-2-3-5-10(8)9;;;;;/h3-11,13-14,22,27H,12H2,1-2H3;3-11,13H,12H2,1-2H3;1-11,13-14H,12H2;5-8,10-11H,9H2,1-4H3;2-11H,1H3;5,7-10,12-13H,3-4,6,11H2,1-2H3;3-10,12H,1-2H3;4-8H,1-3H3;3-9H,1H2,2H3;6-11H,1H2,2H3;2-8H,1H3;6-7H,2-5H2,1H3;5*1H/b;;;;;;;;;8-7+
• InChIKey: DYXBFXHOAZDQLX-CCIRJMOFSA-N
• XLogP: 48.28
• TPSA: 264.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2866.82
LogP ≤ 5	48.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole?

The IUPAC name of 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole (CID 163538313) is 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole.

What is the SMILES notation for 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole?

The canonical SMILES for 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole is C=C=C=C=C/C=C/c1ccncc1C.C=Cc1cncc2c1c1ccccc1n2C.CCCCCc1cncc(C)c1-c1ccccc1.Cc1cnc(C(=O)CC(C)C)c2c1c1ccccc1n2C.Cc1cncc2c1CCCC2.Cc1cncc2c3ccccc3c3ccccc3c12.Cc1cnccc1-c1ccc([N+](=O)[O-])cc1.Cc1cnccc1C1=Cc2ccccc2C1C.Cc1ncc2c(c1C)c1ccccc1n2C.Cc1ncc2c(c1Cc1ccccc1)c1ccccc1n2C.Cn1c(C(O)Cc2cncc3c2c2ccccc2n3C)cc2ccccc21.[H][H].[H][H].[H][H].[H][H].[H][H].c1ccc(Cc2cncc3c2ccc2ccccc23)cc1.

What is the InChIKey of 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole?

The InChIKey is DYXBFXHOAZDQLX-CCIRJMOFSA-N. The full InChI is InChI=1S/C23H21N3O.C20H18N2.C20H15N.C18H20N2O.C18H13N.C17H21N.C16H15N.C14H14N2.C14H12N2.C13H11N.C12H10N2O2.C10H13N.5H2/c1-25-18-9-5-3-7-15(18)11-20(25)22(27)12-16-13-24-14-21-23(16)17-8-4-6-10-19(17)26(21)2;1-14-17(12-15-8-4-3-5-9-15)20-16-10-6-7-11-18(16)22(2)19(20)13-21-14;1-2-6-15(7-3-1)12-17-13-21-14-20-18-9-5-4-8-16(18)10-11-19(17)20;1-11(2)9-15(21)17-18-16(12(3)10-19-17)13-7-5-6-8-14(13)20(18)4;1-12-10-19-11-17-15-8-3-2-6-13(15)14-7-4-5-9-16(14)18(12)17;1-3-4-6-11-16-13-18-12-14(2)17(16)15-9-7-5-8-10-15;1-11-10-17-8-7-14(11)16-9-13-5-3-4-6-15(13)12(16)2;1-9-10(2)15-8-13-14(9)11-6-4-5-7-12(11)16(13)3;1-3-10-8-15-9-13-14(10)11-6-4-5-7-12(11)16(13)2;1-3-4-5-6-7-8-13-9-10-14-11-12(13)2;1-9-8-13-7-6-12(9)10-2-4-11(5-3-10)14(15)16;1-8-6-11-7-9-4-2-3-5-10(8)9;;;;;/h3-11,13-14,22,27H,12H2,1-2H3;3-11,13H,12H2,1-2H3;1-11,13-14H,12H2;5-8,10-11H,9H2,1-4H3;2-11H,1H3;5,7-10,12-13H,3-4,6,11H2,1-2H3;3-10,12H,1-2H3;4-8H,1-3H3;3-9H,1H2,2H3;6-11H,1H2,2H3;2-8H,1H3;6-7H,2-5H2,1H3;5*1H/b;;;;;;;;;8-7+;;;;;;;.

What are the key properties of 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole?

4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole has a molecular weight of 2866.82 g/mol, XLogP of 48.28, 21 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzylbenzo[h]isoquinoline;4-benzyl-3,9-dimethylpyrido[3,4-b]indole;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-ethenyl-9-methylpyrido[3,4-b]indole;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-4-(1-methyl-1H-inden-2-yl)pyridine;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methylphenanthro[9,10-c]pyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline;molecular hydrogen;3,4,9-trimethylpyrido[3,4-b]indole is sourced from PubChem (CID 163538313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).